Cyclohexane-1,3-dione

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

15 Dec 2009 to 11 Feb 2010

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Study conducted to GLP and in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do no effect the quality of the relevant results.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2010

Report date:

2009

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Remarks:

Date of inspection: 15-09-2009 Date of Signature: 26-11-2009

Type of method:

shake-flask method to: flask method

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

Cyclohexane-1,3-dione

EC Number:

207-980-0

EC Name:

Cyclohexane-1,3-dione

Cas Number:

504-02-9

Molecular formula:

C6H8O2

IUPAC Name:

cyclohexane-1,3-dione

Details on test material:

- Name of test material (as cited in study report): 1,3 cyclohexane dione
- Substance type: Powder
- Physical state: Solid
- Analytical purity: 1,3 Cyclohexane Dione >97% W/W
- Impurities (identity and concentrations): Sodium Chloride 1%W/W Maximum
Water 0.5%W/W Maximum
- Composition of test material, percentage of components: 1,3 Cyclohexane Dione 99.2% W/W
Sodium Chloride 0.25%W/W
Water 0.4%W/W

- Purity test date: 18 November 2009
- Lot/batch No.: 184731091224
- Expiration date of the lot/batch: 18 May 2010
- Radiochemical purity (if radiolabelling): N/A
- Stability under test conditions: Stable
- Storage condition of test material: approximately 4 deg C in the dark

Study design

Analytical method:

high-performance liquid chromatography

Results and discussion

Partition coefficient

Type:

log Pow

Partition coefficient:

ca. 0.461

Temp.:

21.4 °C

pH:

ca. 3.2

Details on results:

Results are detailed in attached full study report titled 1,3 CHD Project Number 0612/0065 Partition Coefficient

Any other information on results incl. tables

Further information is detailed in attached full study report titled 1,3 CHD Project Number 0612/0065 Partition Coefficient

Applicant's summary and conclusion

Conclusions:

The Partition Coefficient of the test material at pH 3.2 has been determined to be 2.89 @ 21.4 +/- 0.5 Deg C, Log10 Pow 0.461. The corrected
Partition Coefficient of the test material was calculated to be 0.0502, Log10 Pow -1.3 @ pH7

Executive summary:

Partition Coefficient.  2.89 at 21.4 ± 0.5°C and pH 3.2, log₁₀P_ow0.461, using the shake-flask method, Method A8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008. The corrected partition coefficient of the test material was calculated to be 5.02 x 10^-2, log₁₀P_ow-1.30 at pH 7.